| SpectraBase Compound ID | G1U366fqkuy |
|---|---|
| InChI | InChI=1S/C20H19BrO4/c21-14-10-12-16(13-11-14)25-20(23)18-9-5-4-8-17(18)19(22)24-15-6-2-1-3-7-15/h4-5,8-13,15H,1-3,6-7H2 |
| InChIKey | KOQSCMXIKCKYJP-UHFFFAOYSA-N |
| Mol Weight | 403.27 g/mol |
| Molecular Formula | C20H19BrO4 |
| Exact Mass | 402.046672 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 42yUUZYoZfd |
|---|---|
| Name | Phthalic acid, 4-bromophenyl cyclohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 402.046672088 u |
| Formula | C20H19BrO4 |
| InChI | InChI=1S/C20H19BrO4/c21-14-10-12-16(13-11-14)25-20(23)18-9-5-4-8-17(18)19(22)24-15-6-2-1-3-7-15/h4-5,8-13,15H,1-3,6-7H2 |
| InChIKey | KOQSCMXIKCKYJP-UHFFFAOYSA-N |
| Molecular Weight | 403.272 g/mol |
| SMILES | C1=C(C(=CC=C1)C(OC1CCCCC1)=O)C(OC1=CC=C(C=C1)Br)=O |